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SCHEMBL22678399

SCHEMBL22678399

CC(C)C(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 11/20 0.35
▸ GAA P10253 3/20 0.34
▸ KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16790504 0.94 VCAM1 (0.38) VCAM1GAAKMT2A
SCHEMBL17171782 0.85 VCAM1 (0.33) VCAM1GAAKMT2A
SCHEMBL17171730 0.84 CYP4F2 (0.43) VCAM1GAAKMT2A
SCHEMBL17171726 0.83 VCAM1 (0.38) VCAM1GAAKMT2A
SCHEMBL17546542 0.82 GAA (0.39) VCAM1GAAKMT2A
SCHEMBL17171727 0.82 VCAM1 (0.39) VCAM1GAAKMT2A
SCHEMBL17546561 0.82 VCAM1 (0.35) VCAM1GAAKMT2A
SCHEMBL17171725 0.82 VCAM1 (0.51) VCAM1GAAKMT2A
SCHEMBL19103204 0.81 VCAM1 (0.36) VCAM1GAAKMT2A
SCHEMBL19114981 0.81 VCAM1 (0.34) VCAM1GAAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230732-A1 COMPOSITION, CURED PRODUCT, CURED PRODUCT PRODUCTION METHOD, AND ADDITIVE 株式会社ADEKA 2020-11-19 — — WO disclosed
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